Ligands with its PDB code and its tanimoto calculated from the molecule, present in the database, which has for MMscode: MMs02865012
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
You can sort the columns by Ligand, Ligand name, PDB and Tanimoto.
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
---|---|---|---|---|---|
Ligand | Ligand name | Chain | PDB | Tanimoto | Ligand in PDB |
IPM | 3-ISOPROPYLMALIC ACID | A,B | 1A05 | 0.76 | |
IPM | 3-ISOPROPYLMALIC ACID | A | 1HJ6 | 0.76 | |
HCT | (2R)-butane-1,2,4-tricarboxylic acid | A,B,C | 3DP8 | 0.81 | |
HCT | (2R)-butane-1,2,4-tricarboxylic acid | A,B,C | 3E3K | 0.81 | |
LEA | LEVULINIC ACID | P | 1VWR | 0.73 | |
LEA | LEVULINIC ACID | M,P | 1VWJ | 0.73 | |
LEA | LEVULINIC ACID | A,B | 1W1Z | 0.73 | |
LEA | LEVULINIC ACID | A,B | 1B4K | 0.73 | |
LEA | LEVULINIC ACID | M,P | 1VWK | 0.73 | |
LEA | LEVULINIC ACID | P | 1VWQ | 0.73 | |
LEA | LEVULINIC ACID | A | 1UK8 | 0.73 | |
LEA | LEVULINIC ACID | M,P | 1VWL | 0.73 | |
LEA | LEVULINIC ACID | M,P | 1VWI | 0.73 | |
LEA | LEVULINIC ACID | A | 1B4E | 0.73 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A,B | 1QS0 | 0.76 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A,C | 1UMD | 0.76 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A | 1DXY | 0.76 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A,B | 2HDK | 0.76 | |
COI | 2-OXO-4-METHYLPENTANOIC ACID | A | 1HJF | 0.76 | |
SMB | 2-METHYLBUTANOIC ACID | A,B,C | 1YA8 | 0.73 | |
SMB | 2-METHYLBUTANOIC ACID | A | 1UKA | 0.73 | |
4MV | 4-METHYL VALERIC ACID | A,B,C | 1I1M | 0.84 | |
4MV | 4-METHYL VALERIC ACID | A,B,C | 2EIY | 0.84 | |
4MV | 4-METHYL VALERIC ACID | A | 2ECO | 0.84 | |
4MV | 4-METHYL VALERIC ACID | A,C,D | 1UMC | 0.84 | |
4MV | 4-METHYL VALERIC ACID | A,B | 2COG | 0.84 | |
3OC | (1R)-3-oxocyclohexanecarboxylic acid | A,B | 3DZL | 0.7 | |
MIC | ALPHA-METHYLISOCITRIC ACID | A | 1AMI | 0.76 | |
SHF | LAEVULINIC ACID | A | 1YLV | 0.74 | |
SHF | LAEVULINIC ACID | A | 1H7N | 0.74 | |
SIF | 3-TRIMETHYLSILYLSUCCINIC ACID | A,B | 1FUQ | 0.76 | |
IVA | ISOVALERIC ACID | A | 1YOO | 0.73 | |
IVA | ISOVALERIC ACID | E,I | 4ER2 | 0.73 | |
IVA | ISOVALERIC ACID | E,I | 1APU | 0.73 | |
IVA | ISOVALERIC ACID | E,I | 1APW | 0.73 | |
IVA | ISOVALERIC ACID | E,I | 1APT | 0.73 | |
IVA | ISOVALERIC ACID | A | 2D5Y | 0.73 | |
IVA | ISOVALERIC ACID | A,I | 1GA4 | 0.73 | |
IVA | ISOVALERIC ACID | E,I | 1PPK | 0.73 | |
IVA | ISOVALERIC ACID | A,B,C,D | 1QS8 | 0.73 | |
IVA | ISOVALERIC ACID | A,B,C | 1NLU | 0.73 | |
IVA | ISOVALERIC ACID | A,B | 2RMP | 0.73 | |
IVA | ISOVALERIC ACID | A,B | 1KE1 | 0.73 | |
IVA | ISOVALERIC ACID | E,I | 1PPL | 0.73 | |
IVA | ISOVALERIC ACID | A,B,C,D,I,J | 1LYB | 0.73 | |
IVA | ISOVALERIC ACID | A | 2D64 | 0.73 | |
IVA | ISOVALERIC ACID | I | 2ER0 | 0.73 | |
IVA | ISOVALERIC ACID | I | 1QRP | 0.73 | |
IVA | ISOVALERIC ACID | E,I | 1APV | 0.73 | |
IVA | ISOVALERIC ACID | A,B | 1KDZ | 0.73 | |
IVA | ISOVALERIC ACID | A | 1UK9 | 0.73 | |
IVA | ISOVALERIC ACID | A,I | 1WKR | 0.73 | |
IVA | ISOVALERIC ACID | A,I | 3FNT | 0.73 | |
IVA | ISOVALERIC ACID | A,B,C,D,E,F, G,H,I,J,K,L, M,N,O,P | 3FV3 | 0.73 | |
IVA | ISOVALERIC ACID | I | 1PSO | 0.73 | |
IVA | ISOVALERIC ACID | I | 6APR | 0.73 | |
IVA | ISOVALERIC ACID | A | 2D63 | 0.73 | |
OXS | 2-OXALOSUCCINIC ACID | A | 1IDC | 0.7 | |
MSU | SUCCINIC ACID MONOMETHYL ESTER | A,B,I,J | 2RDL | 0.72 | |
MSU | SUCCINIC ACID MONOMETHYL ESTER | I | 1HNE | 0.72 | |
MSU | SUCCINIC ACID MONOMETHYL ESTER | A,B | 2H5D | 0.72 | |
MSU | SUCCINIC ACID MONOMETHYL ESTER | E,I | 3PRK | 0.72 | |
SIN | SUCCINIC ACID | A,B | 1KQE | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D | 1KOR | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D | 3GXW | 0.7 | |
SIN | SUCCINIC ACID | A | 2AYD | 0.7 | |
SIN | SUCCINIC ACID | A,B,D,E | 2BWN | 0.7 | |
SIN | SUCCINIC ACID | A,B | 3E4O | 0.7 | |
SIN | SUCCINIC ACID | C,D | 1ZKF | 0.7 | |
SIN | SUCCINIC ACID | A | 1UO9 | 0.7 | |
SIN | SUCCINIC ACID | A,B | 3BY9 | 0.7 | |
SIN | SUCCINIC ACID | H,I | 1OYT | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D | 1VZ5 | 0.7 | |
SIN | SUCCINIC ACID | I | 1THS | 0.7 | |
SIN | SUCCINIC ACID | A | 2WBP | 0.7 | |
SIN | SUCCINIC ACID | A,B | 2DJL | 0.7 | |
SIN | SUCCINIC ACID | D,H | 2FES | 0.7 | |
SIN | SUCCINIC ACID | A,B | 3CQY | 0.7 | |
SIN | SUCCINIC ACID | A,B,F,G | 2Q8D | 0.7 | |
SIN | SUCCINIC ACID | A,B | 2BIF | 0.7 | |
SIN | SUCCINIC ACID | A | 2FDJ | 0.7 | |
SIN | SUCCINIC ACID | A | 1O6F | 0.7 | |
SIN | SUCCINIC ACID | A | 1O6G | 0.7 | |
SIN | SUCCINIC ACID | H | 2CN0 | 0.7 | |
SIN | SUCCINIC ACID | C,D | 1RMH | 0.7 | |
SIN | SUCCINIC ACID | A,B,D,F,G,H,I | 2IXP | 0.7 | |
SIN | SUCCINIC ACID | A,B | 3EDN | 0.7 | |
SIN | SUCCINIC ACID | A | 2CNQ | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D | 2Z0A | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D,E,F, G,H,I,J,K,L | 1HQJ | 0.7 | |
SIN | SUCCINIC ACID | A | 3GC2 | 0.7 | |
SIN | SUCCINIC ACID | S | 1AU8 | 0.7 | |
SIN | SUCCINIC ACID | A | 1RPV | 0.7 | |
SIN | SUCCINIC ACID | B,M,P | 2RKZ | 0.7 | |
SIN | SUCCINIC ACID | A | 1KYC | 0.7 | |
SIN | SUCCINIC ACID | A | 1D4D | 0.7 | |
SIN | SUCCINIC ACID | B | 1PIP | 0.7 | |
SIN | SUCCINIC ACID | D,H | 2FEQ | 0.7 | |
SIN | SUCCINIC ACID | H,P | 2ANK | 0.7 | |
SIN | SUCCINIC ACID | A | 1CZE | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D,E,F, G,H | 3HWK | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D | 1F8I | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D | 1XG3 | 0.7 | |
SIN | SUCCINIC ACID | H,P | 2A2X | 0.7 | |
SIN | SUCCINIC ACID | A | 1H2Z | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D | 1HG0 | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D,E,F, G,H | 1L4X | 0.7 | |
SIN | SUCCINIC ACID | A | 2CSG | 0.7 | |
SIN | SUCCINIC ACID | A | 1KNP | 0.7 | |
SIN | SUCCINIC ACID | A | 1E5H | 0.7 | |
SIN | SUCCINIC ACID | A | 1ABZ | 0.7 | |
SIN | SUCCINIC ACID | D,H | 1NZQ | 0.7 | |
SIN | SUCCINIC ACID | A,B | 2V62 | 0.7 | |
SIN | SUCCINIC ACID | A,B | 2FDG | 0.7 | |
SIN | SUCCINIC ACID | A,B | 2FDK | 0.7 | |
SIN | SUCCINIC ACID | A,B | 2FDI | 0.7 | |
SIN | SUCCINIC ACID | H | 2CF9 | 0.7 | |
SIN | SUCCINIC ACID | B | 1LOP | 0.7 | |
SIN | SUCCINIC ACID | A,B | 1H6C | 0.7 | |
SIN | SUCCINIC ACID | A | 3BIF | 0.7 | |
SIN | SUCCINIC ACID | A | 1ZWG | 0.7 | |
SIN | SUCCINIC ACID | S | 1CGH | 0.7 | |
SIN | SUCCINIC ACID | D,H | 1O0D | 0.7 | |
SIN | SUCCINIC ACID | H | 2CF8 | 0.7 | |
SIN | SUCCINIC ACID | A | 2CGN | 0.7 | |
SIN | SUCCINIC ACID | A,X | 2AGE | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D,E,F, G,H | 3HZN | 0.7 | |
SIN | SUCCINIC ACID | A,B | 1QGL | 0.7 | |
SIN | SUCCINIC ACID | H | 2V3O | 0.7 | |
SIN | SUCCINIC ACID | A,B,C,D | 2PC6 | 0.7 | |
SIN | SUCCINIC ACID | A | 2R2J | 0.7 | |
SIN | SUCCINIC ACID | H,I | 2V3H | 0.7 | |
SIN | SUCCINIC ACID | C | 1V9T | 0.7 | |
SIN | SUCCINIC ACID | A | 2OG7 | 0.7 | |
SIN | SUCCINIC ACID | A,D | 1VZ4 | 0.7 | |
SIN | SUCCINIC ACID | A,X | 2AGG | 0.7 | |
SIN | SUCCINIC ACID | A | 1GP6 | 0.7 | |
CCM | 1-METHYL-1-CARBOXY-CYCLOPENTANE | A | 1THL | 0.7 | |
SLE | 2-(THIOMETHYLENE)-4-METHYLPENTANOIC ACID | A,B | 1ATL | 0.72 | |
LML | ISOBUTYL MALONIC ACID | A | 1BFW | 0.78 | |
2PP | 2-PROPYL-PENTANOIC ACID | P | 1DIT | 0.78 | |
TRC | TRICARBALLYLIC ACID | A | 6ACN | 0.85 | |
TRC | TRICARBALLYLIC ACID | A,B | 2PW0 | 0.85 | |
TRC | TRICARBALLYLIC ACID | A | 5ACN | 0.85 |